Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEMFDLEFMRRAFLAGGMIAVMAPILGVYLVLRRQALMADTLSHISLSGVAIGFFLSTNITAASIVVVTIGAIGIEYMRRAYRTYSEVSIAILMAAGLSFAMFLISLSKGTANMSIDQYLFGSLVTVNQQQVYIISIITLLILLYFIVLRRPLYLLTFDEATAKTSGINTNVLSLSFSIVTGLAISVIIPIIGVLLVSALLVLPAAFAIRIAKGFNMVFITAILISLFSVFTGLTSSYQLGTPPGPSITLLLIVLLLIGFAVQGVWTFIKKEAQRKKRSR 2YKA Chain:B ((1-23)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GPLGSSCKTSWADRVREAAAQRR--

General information: TITO was launched using: RESULT: Template: 2YKA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 8 1934 241.75 84.09 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.35 3D Compatibility (PKB) : 241.75 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.35 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_2YKA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YKA-query.scw PDB file : Tito_Scwrl_2YKA.pdb: